| Phytochemical Name : Candicine |
| PCNDIDC0025 |
| Pubchem CID : 23135 |
| Molecular formula: C11H18NO+ |
| Canonical SMILES : C[N+](C)(C)CCC1=CC=C(C=C1)O |
Synonymes : Candicine|6656-13-9|Candicin|2-(4-hydroxyphenyl)ethyl-trimethylazanium|4-Hydroxy-N,N,N-trimethylbenzeneethanaminium|AMMONIUM, (p-HYDROXYPHENETHYL)TRIMETHYL-|BRN 4133224|Benzeneethanaminium, 4-hydroxy-N,N,N-trimethyl-|5V2TJ5H9Z8|CHEBI:3350|MLS001048976|SMR000386994|UNII-5V2TJ5H9Z8|2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium|BENZENEETHANAMINIUM,4-HYDROXY-N,N,N-TRIMETHYL-|C11H18NO|SCHEMBL9561478|CHEMBL1186075|BDBM73699|DTXSID80901642|cid_15127809|STL581350|NCGC00246201-01|LS-18378|[2-(4-hydroxyphenyl)ethyl]trimethylazanium|2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium|FT-0737753|E87162|2-(4-hydroxyphenyl)ethyl-trimethylazanium;iodide|2-(4-hydroxyphenyl)ethyl-trimethyl-ammonium;iodide|2-(4-hydroxyphenyl)ethyl-trimethyl-azanium;iodide|2-(4-hydroxyphenyl)ethyl-trimethylammonium;iodide|Q5031710 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -1.570 |
| Log Po/w (XLOGP3) : 2.100 |
| Log Po/w (WLOGP) : 1.640 |
| Log Po/w (MLOGP) : -1.560 |
| Log Po/w (SILICOS-IT) : -0.790 |
| Consensus Log Po/w : -0.040 |